==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JUN-12 4FV9 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY,VERTEX-CRYSTALLOGRAPHERS . 332 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 18 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 0 1 0 1 1 1 1 0 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 2 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 6 A G 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.4 -23.6 17.5 -8.4 2 7 A A - 0 0 102 1,-0.2 13,-0.0 0, 0.0 0, 0.0 0.662 360.0-133.0 -82.6 -21.0 -23.8 18.1 -4.6 3 8 A G - 0 0 52 2,-0.0 -1,-0.2 10,-0.0 12,-0.1 -0.283 50.2 -25.8 87.7-179.4 -20.0 18.6 -4.3 4 9 A P S S- 0 0 80 0, 0.0 9,-0.1 0, 0.0 2,-0.1 -0.363 70.4-112.4 -68.1 147.4 -17.8 17.0 -1.6 5 10 A E - 0 0 51 7,-0.3 7,-2.5 -2,-0.0 2,-0.3 -0.390 33.1-157.0 -73.7 151.6 -19.4 15.9 1.7 6 11 A M E -A 11 0A 129 5,-0.2 2,-0.4 -2,-0.1 5,-0.2 -0.987 14.0-170.7-135.6 145.9 -18.4 17.8 4.9 7 12 A V E > S-A 10 0A 15 3,-2.6 3,-1.4 -2,-0.3 15,-0.1 -0.969 74.7 -18.9-139.5 119.9 -18.5 17.0 8.7 8 13 A R T 3 S- 0 0 178 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.906 127.3 -47.3 48.7 57.6 -17.8 19.6 11.4 9 14 A G T 3 S+ 0 0 76 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.385 120.1 97.1 70.9 1.3 -16.0 22.1 9.1 10 15 A Q E < S-A 7 0A 61 -3,-1.4 -3,-2.6 1,-0.0 -1,-0.1 -0.943 78.8-100.1-125.1 147.9 -13.8 19.6 7.4 11 16 A V E -A 6 0A 72 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.0 -0.209 27.9-179.7 -60.1 144.3 -14.0 17.6 4.1 12 17 A F - 0 0 0 -7,-2.5 2,-1.9 83,-0.0 -7,-0.3 -0.592 12.3-171.4-146.4 67.9 -15.2 14.0 4.2 13 18 A D + 0 0 82 1,-0.2 82,-0.1 -9,-0.1 -7,-0.1 -0.458 43.0 118.9 -72.8 72.3 -15.0 13.2 0.5 14 19 A V > + 0 0 3 -2,-1.9 4,-1.6 4,-0.2 3,-0.3 0.445 49.4 142.6-117.4 -6.8 -16.7 9.8 0.4 15 20 A G T 4 + 0 0 27 -3,-0.3 4,-0.1 1,-0.2 -10,-0.0 -0.298 41.5 34.8 -72.2 159.2 -19.6 10.6 -2.0 16 21 A P T 4 S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 22,-0.1 -0.998 128.5 36.5 -85.0 -12.9 -21.4 9.7 -4.2 17 22 A R T 4 S+ 0 0 77 -3,-0.3 21,-2.3 1,-0.2 2,-0.5 0.893 122.5 45.3 -66.2 -39.7 -21.3 6.0 -2.9 18 23 A Y E < S+B 37 0B 2 -4,-1.6 -4,-0.2 19,-0.2 19,-0.2 -0.928 74.7 146.5-114.3 116.7 -21.4 7.1 0.8 19 24 A T E +B 36 0B 32 17,-2.0 17,-3.5 -2,-0.5 -2,-0.0 -0.631 38.8 60.4-131.2-173.1 -23.8 9.8 1.9 20 25 A N E S- 0 0 107 15,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.915 73.6-161.8 49.6 56.2 -26.0 10.9 4.9 21 26 A L E - 0 0 31 14,-0.1 2,-0.3 -3,-0.1 14,-0.2 -0.396 16.9-173.5 -72.1 144.4 -23.0 11.3 7.2 22 27 A S E -B 34 0B 58 12,-1.7 12,-2.9 -2,-0.1 2,-0.1 -0.985 27.7-118.0-139.7 125.1 -23.2 11.4 11.0 23 28 A Y E +B 33 0B 76 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.358 35.7 166.7 -62.5 135.7 -20.2 12.2 13.3 24 29 A I E - 0 0 86 8,-2.7 2,-0.3 1,-0.4 9,-0.2 0.715 55.7 -35.6-112.6 -63.7 -19.2 9.3 15.7 25 30 A G E -B 32 0B 22 7,-1.5 7,-3.1 2,-0.0 -1,-0.4 -0.917 47.2-130.4-155.9 178.7 -15.7 10.2 17.1 26 31 A E E -B 31 0B 110 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.990 10.5-170.5-145.1 149.7 -12.3 11.7 16.6 27 32 A G - 0 0 49 3,-2.9 3,-0.4 -2,-0.3 5,-0.0 -0.605 50.1 -81.3-123.6-177.3 -8.6 10.9 17.1 28 33 A A S S+ 0 0 96 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.785 128.0 7.8 -60.3 -33.0 -5.3 12.9 16.9 29 34 A Y S S+ 0 0 43 1,-0.2 21,-2.3 19,-0.1 2,-0.3 0.044 125.4 58.4-140.7 29.5 -5.2 12.5 13.0 30 35 A G E - C 0 49B 20 -3,-0.4 -3,-2.9 19,-0.2 2,-0.3 -0.919 53.5-152.7-167.9 138.9 -8.6 10.9 12.1 31 36 A M E -BC 26 48B 2 17,-0.7 17,-3.3 -2,-0.3 2,-0.5 -0.846 14.7-147.6-109.4 141.4 -12.4 11.3 12.3 32 37 A V E +BC 25 47B 44 -7,-3.1 -8,-2.7 -2,-0.3 -7,-1.5 -0.945 22.6 171.1-113.0 126.5 -14.9 8.4 12.4 33 38 A C E -BC 23 46B 0 13,-2.8 13,-3.3 -2,-0.5 2,-0.3 -0.925 30.4-127.8-127.8 156.7 -18.4 8.9 10.8 34 39 A S E -BC 22 45B 11 -12,-2.9 -12,-1.7 -2,-0.3 2,-0.3 -0.689 35.8-179.9 -94.8 152.8 -21.3 6.6 10.0 35 40 A A E - C 0 44B 0 9,-2.1 9,-3.0 -2,-0.3 2,-0.5 -0.986 31.7-108.8-152.1 157.7 -22.6 6.8 6.4 36 41 A Y E -BC 19 43B 80 -17,-3.5 -17,-2.0 -2,-0.3 2,-0.7 -0.804 25.2-148.7 -92.8 123.1 -25.2 5.3 4.1 37 42 A D E >> -BC 18 42B 2 5,-2.8 4,-1.2 -2,-0.5 5,-1.0 -0.842 5.3-163.9 -89.8 112.8 -23.8 2.9 1.4 38 43 A N T 45S+ 0 0 78 -21,-2.3 -1,-0.1 -2,-0.7 -20,-0.1 0.590 86.5 51.4 -76.0 -10.2 -26.1 3.3 -1.7 39 44 A V T 45S+ 0 0 85 -22,-0.3 -1,-0.1 3,-0.1 -21,-0.0 0.938 121.5 27.1 -86.4 -60.7 -24.7 0.0 -3.2 40 45 A N T 45S- 0 0 98 2,-0.2 -2,-0.2 1,-0.0 3,-0.1 0.537 101.0-133.7 -81.6 -5.3 -25.1 -2.4 -0.2 41 46 A K T <5 + 0 0 154 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.915 68.0 107.5 51.2 52.8 -28.1 -0.2 1.1 42 47 A V E + 0 0 0 0, 0.0 3,-1.6 0, 0.0 7,-0.4 0.500 33.5 98.4-105.1 -4.7 -1.1 10.7 8.1 52 57 A F T 3 S+ 0 0 32 40,-0.4 269,-0.1 1,-0.3 41,-0.1 0.604 72.1 68.8 -68.8 -11.0 1.3 12.0 5.4 53 58 A E T 3 S+ 0 0 76 -3,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.722 104.9 45.0 -77.1 -19.8 2.8 14.8 7.5 54 59 A H <> - 0 0 105 -3,-1.6 4,-1.6 1,-0.1 -1,-0.1 -0.982 67.2-144.4-132.5 140.2 4.6 12.1 9.7 55 60 A Q H > S+ 0 0 46 -2,-0.4 4,-2.0 2,-0.2 -1,-0.1 0.880 105.1 52.0 -60.6 -45.8 6.5 8.9 9.0 56 61 A T H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.879 108.6 50.6 -61.4 -42.6 5.1 7.1 12.2 57 62 A Y H > S+ 0 0 62 -6,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.878 111.2 49.1 -63.8 -38.5 1.5 7.9 11.1 58 63 A C H X S+ 0 0 0 -4,-1.6 4,-2.3 -7,-0.4 -2,-0.2 0.865 110.2 51.3 -66.0 -42.7 2.2 6.5 7.6 59 64 A Q H X S+ 0 0 10 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.931 111.5 46.7 -57.9 -52.2 3.7 3.3 9.2 60 65 A R H X S+ 0 0 62 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.870 112.5 50.0 -60.3 -43.6 0.6 2.8 11.4 61 66 A T H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.922 114.7 43.4 -63.3 -48.6 -1.8 3.4 8.4 62 67 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.891 114.1 51.1 -65.1 -43.0 0.0 0.9 6.1 63 68 A R H X S+ 0 0 12 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.914 111.8 46.8 -60.3 -47.1 0.4 -1.7 8.9 64 69 A E H X S+ 0 0 7 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.924 113.1 48.0 -62.4 -48.9 -3.4 -1.6 9.8 65 70 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.931 115.6 44.5 -58.6 -49.8 -4.5 -1.8 6.1 66 71 A K H X S+ 0 0 51 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.915 116.4 45.5 -64.6 -44.8 -2.2 -4.8 5.4 67 72 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 3,-0.4 0.958 116.1 44.6 -63.5 -52.5 -3.0 -6.7 8.6 68 73 A L H < S+ 0 0 2 -4,-2.8 11,-0.4 1,-0.2 -2,-0.2 0.805 111.9 52.1 -67.1 -30.0 -6.9 -6.2 8.4 69 74 A L H < S+ 0 0 38 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.816 115.7 42.3 -73.4 -29.6 -7.0 -7.1 4.6 70 75 A R H < S+ 0 0 168 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.899 101.1 82.2 -79.8 -45.4 -5.1 -10.3 5.4 71 76 A F < - 0 0 15 -4,-2.8 2,-0.3 -5,-0.1 62,-0.0 -0.336 52.3-179.4 -66.7 139.4 -7.0 -11.2 8.6 72 77 A R + 0 0 227 6,-0.1 2,-0.3 -2,-0.1 5,-0.1 -0.869 26.8 129.4-143.6 99.2 -10.4 -13.0 8.2 73 78 A H > - 0 0 23 3,-0.4 3,-1.8 -2,-0.3 56,-0.0 -0.954 60.2-124.9-156.9 140.5 -12.2 -13.8 11.6 74 79 A E T 3 S+ 0 0 125 -2,-0.3 4,-0.1 1,-0.3 55,-0.1 0.722 112.4 48.1 -55.6 -31.9 -15.7 -13.2 13.1 75 80 A N T 3 S+ 0 0 4 82,-0.1 83,-2.5 53,-0.1 2,-0.4 0.124 101.7 75.2-101.9 19.8 -14.2 -11.3 16.2 76 81 A I B < S-f 158 0C 8 -3,-1.8 -3,-0.4 81,-0.3 83,-0.2 -1.000 85.8-115.7-132.3 129.6 -11.9 -9.0 14.1 77 82 A I - 0 0 2 81,-2.7 2,-0.2 -2,-0.4 -6,-0.1 -0.374 32.0-147.4 -64.0 136.3 -13.2 -6.0 12.1 78 83 A G - 0 0 26 -2,-0.1 2,-0.6 -4,-0.1 21,-0.4 -0.575 14.1-115.6 -99.6 167.2 -12.7 -6.3 8.3 79 84 A I + 0 0 20 -11,-0.4 19,-0.2 -2,-0.2 3,-0.1 -0.939 28.7 177.8-104.1 120.8 -12.0 -3.6 5.7 80 85 A N - 0 0 70 17,-2.9 2,-0.3 -2,-0.6 18,-0.2 0.801 64.9 -10.5 -89.1 -37.8 -14.9 -3.4 3.2 81 86 A D E -E 97 0B 18 16,-1.3 16,-3.2 2,-0.0 2,-0.4 -0.977 52.3-147.5-160.1 158.7 -13.6 -0.5 1.1 82 87 A I E -E 96 0B 1 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.989 12.1-164.7-137.8 126.7 -10.9 2.2 0.9 83 88 A I E +E 95 0B 37 12,-2.4 12,-2.9 -2,-0.4 2,-0.3 -0.927 22.7 143.5-112.2 135.8 -11.3 5.7 -0.7 84 89 A R - 0 0 19 -2,-0.4 10,-0.1 10,-0.2 7,-0.1 -0.919 53.3 -66.8-156.5 171.4 -8.3 8.0 -1.7 85 90 A A - 0 0 20 8,-0.4 6,-0.1 -2,-0.3 5,-0.0 -0.203 41.6-117.1 -64.1 153.8 -7.5 10.5 -4.5 86 91 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.781 99.8 40.6 -63.1 -28.0 -7.0 9.3 -8.1 87 92 A T S >> S- 0 0 55 1,-0.1 3,-0.8 0, 0.0 4,-0.7 -0.924 81.0-126.0-122.7 150.4 -3.3 10.5 -8.1 88 93 A I G >4 S+ 0 0 42 -2,-0.3 3,-0.8 1,-0.2 -3,-0.1 0.849 110.6 60.3 -60.0 -35.7 -0.6 10.3 -5.3 89 94 A E G 34 S+ 0 0 136 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.785 110.1 41.9 -63.2 -30.7 -0.1 14.2 -5.6 90 95 A Q G <4 S+ 0 0 118 -3,-0.8 2,-0.9 2,-0.0 -1,-0.3 0.507 88.4 106.2 -91.7 -13.0 -3.8 14.7 -4.6 91 96 A M << + 0 0 0 -3,-0.8 3,-0.1 -4,-0.7 234,-0.1 -0.631 25.6 138.4 -76.9 103.8 -3.8 12.0 -1.9 92 97 A K + 0 0 119 -2,-0.9 -40,-0.4 1,-0.2 2,-0.3 0.506 68.4 36.5-115.9 -16.1 -3.8 13.9 1.5 93 98 A D - 0 0 37 -3,-0.2 -8,-0.4 -43,-0.1 2,-0.4 -0.941 61.6-152.5-138.3 156.3 -6.4 11.6 3.2 94 99 A V E -D 49 0B 0 -45,-2.4 -45,-2.9 -2,-0.3 2,-0.6 -0.999 11.0-157.0-131.0 127.6 -7.3 7.9 3.3 95 100 A Y E -DE 48 83B 9 -12,-2.9 -12,-2.4 -2,-0.4 2,-0.5 -0.949 5.4-162.6-110.9 114.4 -10.9 6.7 4.1 96 101 A I E -DE 47 82B 4 -49,-2.3 -49,-2.5 -2,-0.6 2,-0.5 -0.872 7.4-152.1-100.1 127.8 -11.3 3.2 5.5 97 102 A V E +DE 46 81B 0 -16,-3.2 -17,-2.9 -2,-0.5 -16,-1.3 -0.869 24.1 162.5-102.4 127.1 -14.8 1.7 5.3 98 103 A Q E -D 45 0B 33 -53,-3.1 -53,-2.9 -2,-0.5 -19,-0.1 -0.847 45.7 -70.1-135.6 169.8 -15.9 -0.9 7.9 99 104 A D E -D 44 0B 69 -21,-0.4 2,-0.7 -2,-0.3 -55,-0.2 -0.355 48.4-122.4 -62.0 139.0 -19.1 -2.5 9.3 100 105 A L - 0 0 68 -57,-0.6 2,-0.1 -65,-0.1 -1,-0.1 -0.805 32.3-164.9 -87.4 113.6 -21.1 -0.2 11.4 101 106 A M - 0 0 30 -2,-0.7 50,-0.2 50,-0.1 3,-0.1 -0.379 28.1-113.9 -90.3 172.3 -21.5 -1.8 14.8 102 107 A E S S- 0 0 120 48,-1.3 2,-0.2 1,-0.2 49,-0.2 0.902 79.7 -41.7 -74.1 -44.8 -24.1 -0.7 17.5 103 108 A T E -G 150 0C 27 47,-2.1 47,-3.0 -3,-0.0 2,-0.3 -0.857 57.2-101.8-162.7-170.7 -21.5 0.6 20.1 104 109 A D E > -G 149 0C 31 45,-0.3 4,-2.0 -2,-0.2 45,-0.2 -0.821 35.1-106.8-124.7 168.8 -18.2 -0.1 21.8 105 110 A L H > S+ 0 0 0 43,-2.2 4,-2.4 40,-1.3 41,-0.2 0.773 116.9 63.0 -68.7 -25.3 -17.4 -1.6 25.3 106 111 A Y H > S+ 0 0 112 39,-0.8 4,-1.0 42,-0.2 -1,-0.2 0.960 109.9 37.9 -61.1 -51.3 -16.3 1.9 26.5 107 112 A K H > S+ 0 0 122 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.852 115.3 53.9 -69.5 -38.9 -19.8 3.3 26.0 108 113 A L H >X S+ 0 0 14 -4,-2.0 4,-2.7 1,-0.2 3,-0.7 0.929 110.6 45.9 -63.5 -44.0 -21.6 0.1 27.2 109 114 A L H 3< S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.696 107.1 59.3 -72.9 -20.3 -19.6 0.1 30.5 110 115 A K H 3< S+ 0 0 157 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.737 125.1 17.1 -76.2 -25.9 -20.3 3.8 31.0 111 116 A T H << S+ 0 0 106 -4,-0.9 2,-0.4 -3,-0.7 -2,-0.2 0.528 116.3 63.5-124.1 -15.2 -24.1 3.2 31.0 112 117 A Q < - 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